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BDBM50446489 CHEMBL3110035

SMILES: CC(C)CCCN1[C@@H](CCCCN2C[C@@H](Cc3ccccc3)N(CC3CCC(CC3)C(C)(C)C)C2=N)CN=C1N

InChI Key: InChIKey=ACQMEHHQPLMUFS-UFADHCMUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446489   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neuronal acetylcholine receptor Alpha-3/Beta-4


(Rattus norvegicus (Rat))		BDBM50446489
PNG
(CHEMBL3110035)
Show SMILES CC(C)CCCN1[C@@H](CCCCN2C[C@@H](Cc3ccccc3)N(CC3CCC(CC3)C(C)(C)C)C2=N)CN=C1N |r,wU:7.7,wD:14.14,c:40,(7.5,-42.6,;5.96,-42.52,;5.25,-41.16,;5.13,-43.82,;5.83,-45.19,;5,-46.49,;5.71,-47.85,;7.18,-48.31,;8.52,-47.56,;9.84,-48.34,;11.19,-47.59,;12.51,-48.37,;13.85,-47.61,;15.33,-48.07,;16.21,-46.81,;17.75,-46.79,;18.5,-45.44,;20.04,-45.43,;20.79,-44.09,;20.01,-42.77,;18.47,-42.78,;17.71,-44.13,;15.29,-45.58,;15.96,-44.19,;15.14,-42.89,;15.86,-41.53,;15.04,-40.24,;13.5,-40.3,;12.79,-41.66,;13.61,-42.97,;12.68,-39,;13.4,-37.63,;11.14,-39.06,;11.9,-37.65,;13.83,-46.08,;12.57,-45.19,;7.19,-49.85,;5.73,-50.35,;4.82,-49.1,;3.28,-49.12,)|
Show InChI InChI=1S/C34H58N6/c1-26(2)12-11-21-39-30(23-37-32(39)35)15-9-10-20-38-25-31(22-27-13-7-6-8-14-27)40(33(38)36)24-28-16-18-29(19-17-28)34(3,4)5/h6-8,13-14,26,28-31,36H,9-12,15-25H2,1-5H3,(H2,35,37)/t28?,29?,30-,31+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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UniChem

Similars
Article
PubMed
 6.84E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis

J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair